Using VASP

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Quenching rate in MD

Last post by support_vasp « Thu Sep 12, 2024 7:38 am
Replies: 1
by rabi » Mon Nov 12, 2012 7:15 pm

1 Replies

1410 Views

Last post by support_vasp
Thu Sep 12, 2024 7:38 am
How to calculate the average voltage from the VASP simulation results such as total energy, etc?

Last post by support_vasp « Thu Sep 12, 2024 7:37 am
Replies: 1
by bkkim60 » Tue Sep 03, 2013 10:01 am

1 Replies

1367 Views

Last post by support_vasp
Thu Sep 12, 2024 7:37 am
vdW correction energy

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by mcandg03 » Wed Nov 09, 2011 11:33 pm

1 Replies

1168 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
understanding the PROCAR file

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by gjenness » Wed Sep 19, 2012 6:10 pm

1 Replies

2101 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
GW calculation- ALGO=exact

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by monazam » Fri Aug 02, 2013 6:20 pm

1 Replies

1326 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
Rotational temperature

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by siddarth1753 » Tue Sep 03, 2013 6:47 pm

1 Replies

1001 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
Problem about calculating CO adsorption

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by feng_gao » Tue Sep 03, 2013 9:59 pm

1 Replies

1108 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
How to calculate the Inelastic Electron Tunneling Spectroscopy (IETS) in VASP

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by rockhardway » Wed Sep 04, 2013 9:24 am

1 Replies

1055 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
Formation Energy of Cr2O3

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by superyoyo » Sat Nov 12, 2011 11:48 am

1 Replies

1567 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
metagga M06L problem

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by hundred » Thu Apr 19, 2012 3:25 pm

1 Replies

1398 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
What magnetization(x) will give in OUTCAR file. Is it total magnetic moment?

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by sunny » Thu Sep 20, 2012 12:35 pm

1 Replies

1384 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
How to set DIPOL?

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by fanzhen » Sat Nov 12, 2011 3:28 pm

1 Replies

1187 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
different electric field has same results

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by zhu » Sat Jun 14, 2014 5:36 pm

1 Replies

1287 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
errors in calculation of electron localization function(ELFCAR)

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by bighunter » Sat Jun 14, 2014 6:44 am

1 Replies

1468 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
How to choose the POTCAR for mBJ calculation?

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by hol28 » Fri Jun 13, 2014 8:37 am

1 Replies

1328 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
Recipe for effective masses calculations

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by hat » Thu Jun 12, 2014 2:02 pm

1 Replies

1265 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
augmentation occupancy

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by freshwind » Mon Aug 05, 2013 3:53 pm

1 Replies

1394 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
Dispersion Coefficient

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by mahmud » Wed Nov 14, 2012 5:47 pm

1 Replies

1050 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
printing out partial magnetization in spin-polarized hybrid calc

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by md » Thu Nov 10, 2011 3:50 pm

1 Replies

1136 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
MD for icosahedron

Last post by support_vasp « Thu Sep 12, 2024 7:32 am
Replies: 1
by M Dave » Mon Jan 21, 2013 2:35 pm

1 Replies

1036 Views

Last post by support_vasp
Thu Sep 12, 2024 7:32 am

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